(1S)-6-[3-(7-bromoimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine

C19H16BrN5O — CID 166430679

IUPAC(1S)-6-[3-(7-bromoimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESN[C@H]1CCCc2cc(-c3nc(-c4cn5ccc(Br)cc5n4)no3)ccc21
InChIInChI=1S/C19H16BrN5O/c20-13-6-7-25-10-16(22-17(25)9-13)18-23-19(26-24-18)12-4-5-14-11(8-12)2-1-3-15(14)21/h4-10,15H,1-3,21H2/t15-/m0/s1
InChIKeyBASIDRHMUUXDLN-HNNXBMFYSA-N
MW410.28 g/mol
LogP4.15
Rot. Bonds2

About (1S)-6-[3-(7-bromoimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine

(1S)-6-[3-(7-bromoimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 166430679) has the molecular formula C19H16BrN5O and a molecular weight of 410.28 g/mol. Its IUPAC name is (1S)-6-[3-(7-bromoimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S)-6-[3-(7-bromoimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID166430679
Molecular FormulaC19H16BrN5O
Molecular Weight410.28 g/mol
Exact Mass409.05
IUPAC Name(1S)-6-[3-(7-bromoimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESN[C@H]1CCCc2cc(-c3nc(-c4cn5ccc(Br)cc5n4)no3)ccc21
InChIInChI=1S/C19H16BrN5O/c20-13-6-7-25-10-16(22-17(25)9-13)18-23-19(26-24-18)12-4-5-14-11(8-12)2-1-3-15(14)21/h4-10,15H,1-3,21H2/t15-/m0/s1
InChIKeyBASIDRHMUUXDLN-HNNXBMFYSA-N
XLogP4.15
TPSA82.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.28
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-6-[3-(7-bromoimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

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Related Compounds

(1R)-6-[3-(7-bromoimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 166430678
[4-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 166337855
(1R)-6-bromo-1,2,3,4-tetrahydronaphthalen-1-amine
CID 71416765
6-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 155956968
7-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
CID 117135502
7-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine
CID 117133635
4-(7-bromoimidazo[1,2-a]pyridin-2-yl)-5-methyl-3-phenyl-1,2-oxazole
CID 24738828
[2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridin-7-yl]methanamine
CID 82059877
7-bromo-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
CID 45158643
7-bromo-2-(1-propan-2-ylpyrrolidin-2-yl)imidazo[1,2-a]pyridine
CID 117134197
2-(3-bromophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62007896
(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 56594240

Frequently Asked Questions

What is the IUPAC name of (1S)-6-[3-(7-bromoimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S)-6-[3-(7-bromoimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 166430679) is (1S)-6-[3-(7-bromoimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S)-6-[3-(7-bromoimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S)-6-[3-(7-bromoimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine is N[C@H]1CCCc2cc(-c3nc(-c4cn5ccc(Br)cc5n4)no3)ccc21.
What is the InChIKey of (1S)-6-[3-(7-bromoimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is BASIDRHMUUXDLN-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H16BrN5O/c20-13-6-7-25-10-16(22-17(25)9-13)18-23-19(26-24-18)12-4-5-14-11(8-12)2-1-3-15(14)21/h4-10,15H,1-3,21H2/t15-/m0/s1.
What are the key properties of (1S)-6-[3-(7-bromoimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S)-6-[3-(7-bromoimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 410.28 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-[3-(7-bromoimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 166430679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).